| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:28 UTC |
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| Update Date | 2025-03-25 00:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO18S2 |
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| Molecular Mass | 543.02 |
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| SMILES | O=C(O)C1OC(OC2C(O)C(NS(=O)(=O)O)C(O)C(C(=O)O)C2O)C(OS(=O)(=O)O)C(O)C1O |
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| InChI Key | PUTUQZQWCZCTDM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfatesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclamatescyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesgamma amino acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidgamma amino acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativescyclohexanolcyclamic_acid_derivativecyclitol or derivativeshydroxy acidcyclic alcoholoxacyclepyransulfuric acid monoamidesecondary alcoholdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester |
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